==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-DEC-99 1DKQ . COMPND 2 MOLECULE: PHYTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.LIM,S.GOLOVAN,C.W.FORSBERG,Z.JIA . 410 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17397.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 26 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 126 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 1 1 0 0 0 5 0 0 1 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A Q 0 0 198 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.6 29.6 16.4 51.8 2 2 A S - 0 0 129 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.125 360.0-143.1 -45.6 136.4 28.3 15.2 48.5 3 3 A E - 0 0 151 1,-0.0 2,-0.1 2,-0.0 -1,-0.1 -0.827 19.7-100.1-110.0 145.8 28.9 17.9 45.8 4 4 A P - 0 0 91 0, 0.0 337,-0.0 0, 0.0 -1,-0.0 -0.408 23.7-159.7 -63.5 134.0 26.7 18.9 42.9 5 5 A E S S+ 0 0 99 -2,-0.1 336,-2.6 336,-0.1 337,-0.5 0.529 74.6 61.5 -92.1 -7.8 27.9 17.4 39.6 6 6 A L E -A 340 0A 16 334,-0.3 2,-0.5 335,-0.1 334,-0.2 -0.964 68.0-155.6-121.6 135.6 26.0 19.9 37.5 7 7 A K E -A 339 0A 105 332,-2.9 332,-2.7 -2,-0.4 2,-0.2 -0.949 18.5-129.5-114.7 123.5 26.6 23.7 37.4 8 8 A L E +A 338 0A 4 -2,-0.5 330,-0.2 61,-0.4 3,-0.1 -0.495 37.5 159.6 -67.9 129.4 23.8 26.1 36.3 9 9 A E E + 0 0 51 328,-2.4 2,-0.3 1,-0.3 -1,-0.2 0.561 58.1 24.7-126.3 -18.4 25.2 28.5 33.7 10 10 A S E -A 337 0A 2 327,-1.3 327,-2.6 2,-0.0 2,-0.4 -0.981 52.4-171.7-155.8 139.2 22.1 29.8 31.9 11 11 A V E -Ab 336 297A 1 285,-2.6 287,-2.1 -2,-0.3 2,-0.5 -0.997 0.7-175.6-133.5 132.6 18.4 30.4 32.4 12 12 A V E -Ab 335 298A 0 323,-3.1 323,-3.1 -2,-0.4 2,-0.5 -0.991 9.3-166.7-128.9 121.9 15.7 31.4 29.9 13 13 A I E -Ab 334 299A 0 285,-3.4 287,-3.3 -2,-0.5 2,-0.7 -0.938 10.3-166.3-114.4 127.3 12.2 32.1 31.2 14 14 A V E -Ab 333 300A 1 319,-2.3 319,-2.8 -2,-0.5 2,-0.3 -0.934 22.9-176.2-110.1 106.8 9.2 32.4 28.9 15 15 A S E -Ab 332 301A 0 285,-2.8 287,-3.5 -2,-0.7 317,-0.2 -0.816 24.5-132.4-108.8 145.4 6.5 33.8 31.1 16 16 A R E - b 0 302A 9 315,-2.2 314,-0.3 -2,-0.3 287,-0.3 -0.579 44.7 -93.2 -83.4 156.4 2.8 34.5 30.3 17 17 A A - 0 0 2 285,-1.1 313,-1.7 -2,-0.2 314,-0.3 -0.239 49.5-109.8 -63.8 164.0 1.7 38.0 31.5 18 18 A G - 0 0 5 74,-0.5 -1,-0.1 311,-0.3 312,-0.1 -0.032 57.5 -36.1 -87.2-168.3 0.1 38.1 34.9 19 19 A V S S+ 0 0 2 32,-0.3 29,-2.1 310,-0.2 2,-0.3 -0.238 70.1 166.0 -54.1 128.9 -3.4 38.7 36.2 20 20 A R B -I 47 0B 31 27,-0.3 27,-0.2 -3,-0.1 3,-0.1 -0.867 40.8 -92.7-138.6 168.9 -5.2 41.2 34.0 21 21 A A - 0 0 0 25,-1.7 24,-0.9 22,-0.4 18,-0.0 -0.501 64.5 -77.2 -80.1 154.4 -8.7 42.4 33.5 22 22 A P - 0 0 14 0, 0.0 23,-1.5 0, 0.0 24,-0.2 -0.107 37.7-126.9 -50.6 151.8 -10.6 40.7 30.6 23 23 A T S S+ 0 0 57 21,-0.3 2,-0.3 22,-0.1 21,-0.1 0.747 83.7 20.3 -76.3 -21.4 -9.6 41.8 27.2 24 24 A K - 0 0 97 2,-0.0 2,-0.2 21,-0.0 21,-0.1 -0.950 48.6-155.4-146.9 165.6 -13.2 42.6 26.1 25 25 A A + 0 0 79 -2,-0.3 2,-0.1 19,-0.0 19,-0.0 -0.713 35.3 173.6-140.0 80.1 -16.7 43.4 27.2 26 26 A T > - 0 0 62 -2,-0.2 4,-0.7 1,-0.1 5,-0.1 -0.318 45.1-115.1 -87.8 171.1 -19.0 42.4 24.3 27 27 A Q H > S+ 0 0 128 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.838 116.4 58.1 -72.8 -34.1 -22.8 42.2 24.0 28 28 A L H > S+ 0 0 65 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.927 100.3 56.5 -61.3 -45.0 -22.6 38.4 23.6 29 29 A M H 4 S+ 0 0 9 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.808 112.6 42.3 -57.4 -30.4 -20.8 38.2 27.0 30 30 A Q H >< S+ 0 0 72 -4,-0.7 3,-1.4 -3,-0.4 146,-0.3 0.837 107.4 60.4 -85.1 -34.4 -23.7 40.0 28.6 31 31 A D H 3< S+ 0 0 48 -4,-2.5 146,-2.6 1,-0.2 147,-0.4 0.690 97.1 59.5 -67.6 -18.6 -26.4 38.1 26.7 32 32 A V T 3< S+ 0 0 0 -4,-1.3 -1,-0.2 143,-0.2 143,-0.2 0.368 110.6 41.3 -92.8 6.3 -25.4 34.6 28.1 33 33 A T < - 0 0 1 -3,-1.4 143,-0.2 2,-0.1 138,-0.1 -0.982 61.6-151.6-151.4 137.7 -26.0 35.7 31.6 34 34 A P S S+ 0 0 61 0, 0.0 2,-0.1 0, 0.0 137,-0.1 0.628 80.1 86.3 -81.9 -12.8 -28.7 37.7 33.3 35 35 A D S S- 0 0 49 135,-0.5 2,-0.5 1,-0.1 -2,-0.1 -0.412 86.5-108.0 -85.7 162.7 -26.2 38.8 35.9 36 36 A A - 0 0 72 -2,-0.1 198,-0.1 1,-0.0 -1,-0.1 -0.792 29.4-121.3 -96.2 127.3 -23.8 41.7 35.7 37 37 A W - 0 0 44 -2,-0.5 2,-0.1 -4,-0.1 -1,-0.0 -0.388 35.1-109.1 -62.8 137.5 -20.1 41.0 35.1 38 38 A P - 0 0 51 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.417 33.4-118.5 -69.5 144.9 -18.0 42.5 37.9 39 39 A T - 0 0 129 -2,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.510 22.4-133.7 -84.6 152.4 -15.9 45.5 37.0 40 40 A W - 0 0 35 2,-0.2 4,-0.1 -2,-0.2 -1,-0.0 -0.696 15.3-122.5-104.5 158.4 -12.1 45.5 37.2 41 41 A P S S+ 0 0 84 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.548 92.3 46.3 -75.2 -9.2 -9.7 48.2 38.7 42 42 A V S S- 0 0 34 4,-0.1 -2,-0.2 1,-0.1 3,-0.1 -0.831 97.8 -79.2-129.7 169.3 -7.8 48.6 35.4 43 43 A K > - 0 0 131 -2,-0.3 3,-1.9 1,-0.2 -22,-0.4 -0.140 69.4 -71.5 -60.3 162.3 -8.5 49.1 31.7 44 44 A L T 3 S+ 0 0 92 1,-0.3 -21,-0.3 -21,-0.1 -1,-0.2 -0.288 120.0 8.6 -58.2 137.0 -9.4 46.0 29.7 45 45 A G T 3 S+ 0 0 6 -23,-1.5 47,-0.4 -24,-0.9 -1,-0.3 0.476 99.6 128.8 71.9 1.7 -6.5 43.7 29.1 46 46 A W < - 0 0 104 -3,-1.9 -25,-1.7 -24,-0.2 -1,-0.2 -0.612 66.4-103.7 -92.3 150.5 -4.2 45.7 31.5 47 47 A L B -I 20 0B 15 -2,-0.2 -27,-0.3 -27,-0.2 -4,-0.1 -0.491 34.9-133.1 -69.7 135.7 -2.2 44.1 34.3 48 48 A T > - 0 0 0 -29,-2.1 4,-2.0 -2,-0.2 5,-0.2 -0.571 19.9-115.4 -87.1 153.3 -3.8 44.7 37.7 49 49 A P H > S+ 0 0 91 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.892 121.0 52.8 -55.1 -36.6 -1.5 45.9 40.6 50 50 A R H > S+ 0 0 50 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.903 104.9 55.6 -63.9 -39.4 -2.3 42.6 42.3 51 51 A G H > S+ 0 0 1 -32,-0.2 4,-1.7 1,-0.2 -32,-0.3 0.895 107.1 49.5 -59.3 -39.5 -1.2 40.8 39.1 52 52 A G H X S+ 0 0 13 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.859 108.0 53.2 -68.1 -36.4 2.1 42.7 39.3 53 53 A E H X S+ 0 0 77 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.932 107.9 50.9 -63.6 -44.7 2.6 41.7 42.9 54 54 A L H X S+ 0 0 3 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.871 112.0 47.3 -61.4 -36.7 2.1 38.0 42.0 55 55 A I H X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.914 108.9 54.2 -69.6 -42.3 4.7 38.3 39.3 56 56 A A H X S+ 0 0 21 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.852 103.7 56.9 -59.1 -35.0 7.1 40.1 41.7 57 57 A Y H X S+ 0 0 48 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.916 107.8 46.7 -62.2 -43.2 6.7 37.1 44.1 58 58 A L H X S+ 0 0 0 -4,-1.3 4,-3.1 2,-0.2 -2,-0.2 0.893 111.8 51.1 -65.3 -39.6 7.8 34.8 41.3 59 59 A G H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.898 110.8 48.7 -64.0 -38.6 10.7 37.2 40.6 60 60 A H H X S+ 0 0 86 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.913 112.9 48.1 -66.5 -42.1 11.5 37.1 44.4 61 61 A Y H X S+ 0 0 17 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.938 110.5 50.5 -61.9 -49.1 11.4 33.3 44.3 62 62 A Q H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.834 105.8 56.6 -59.8 -34.5 13.6 33.1 41.2 63 63 A R H X S+ 0 0 30 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.931 110.5 44.2 -64.2 -42.3 16.2 35.4 42.8 64 64 A Q H X S+ 0 0 65 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.911 114.5 50.2 -66.4 -42.3 16.5 33.0 45.8 65 65 A R H X S+ 0 0 17 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.951 113.0 43.6 -61.4 -53.9 16.6 29.9 43.5 66 66 A L H <>S+ 0 0 1 -4,-2.8 5,-2.9 2,-0.2 6,-0.9 0.826 112.1 54.3 -63.0 -34.0 19.3 31.2 41.2 67 67 A V H ><5S+ 0 0 36 -4,-1.8 3,-2.2 -5,-0.3 -1,-0.2 0.954 106.7 51.7 -63.1 -49.0 21.3 32.5 44.1 68 68 A A H 3<5S+ 0 0 69 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.803 111.2 47.4 -56.7 -31.5 21.2 29.0 45.6 69 69 A D T 3<5S- 0 0 57 -4,-1.4 -61,-0.4 -5,-0.1 -1,-0.3 0.363 116.4-120.7 -91.4 4.0 22.4 27.6 42.3 70 70 A G T < 5S+ 0 0 56 -3,-2.2 -3,-0.2 2,-0.2 -2,-0.1 0.718 81.1 117.8 66.4 24.8 25.1 30.3 42.3 71 71 A L S > - 0 0 148 1,-0.2 3,-2.0 2,-0.1 4,-0.6 -0.179 64.9 -72.8 -56.9 156.5 26.1 42.9 36.9 80 80 A S T 34 S+ 0 0 133 1,-0.3 -1,-0.2 2,-0.1 30,-0.0 -0.296 120.7 3.3 -56.1 126.2 25.2 44.9 33.8 81 81 A G T 34 S+ 0 0 39 2,-0.3 -1,-0.3 -3,-0.2 216,-0.2 0.288 95.2 115.5 81.3 -12.6 23.5 42.7 31.3 82 82 A Q T <4 S+ 0 0 30 -3,-2.0 215,-2.2 1,-0.2 2,-0.5 0.883 82.8 38.4 -55.9 -38.8 23.6 39.7 33.6 83 83 A V E < S-c 297 0A 11 -4,-0.6 2,-0.4 213,-0.2 -2,-0.3 -0.968 76.7-172.5-117.3 120.3 19.8 39.8 33.6 84 84 A A E -c 298 0A 5 213,-3.0 215,-2.6 -2,-0.5 2,-0.4 -0.918 2.9-165.6-113.9 138.9 18.0 40.6 30.4 85 85 A I E +cd 299 112A 0 26,-0.5 28,-2.8 -2,-0.4 2,-0.4 -0.987 7.1 179.2-128.6 125.9 14.3 41.3 30.1 86 86 A I E -cd 300 113A 2 213,-2.8 215,-3.0 -2,-0.4 2,-0.3 -0.973 7.2-178.0-124.1 138.6 12.3 41.3 26.8 87 87 A A E -c 301 0A 0 26,-2.6 28,-0.5 -2,-0.4 215,-0.2 -0.958 31.6-106.7-137.8 155.6 8.6 41.9 26.6 88 88 A D - 0 0 5 213,-1.8 6,-0.1 -2,-0.3 30,-0.0 -0.318 47.2-103.0 -68.8 163.0 5.9 42.0 23.9 89 89 A V S S+ 0 0 14 31,-0.1 -1,-0.1 28,-0.1 25,-0.0 0.644 86.1 113.0 -67.6 -13.3 4.7 45.6 23.2 90 90 A D S > S- 0 0 53 1,-0.1 4,-2.3 4,-0.1 5,-0.2 -0.133 76.1-121.8 -60.4 154.1 1.4 45.1 25.2 91 91 A E H > S+ 0 0 53 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.940 112.3 50.4 -61.6 -46.4 0.9 47.1 28.5 92 92 A R H > S+ 0 0 48 -47,-0.4 4,-1.0 1,-0.2 -74,-0.5 0.824 112.2 45.0 -64.8 -32.7 0.4 43.8 30.4 93 93 A T H > S+ 0 0 0 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.890 113.0 50.1 -77.9 -39.2 3.6 42.2 29.1 94 94 A R H X S+ 0 0 79 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.951 113.6 46.8 -61.0 -46.6 5.7 45.3 29.7 95 95 A K H X S+ 0 0 88 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.748 108.2 55.7 -67.1 -25.6 4.3 45.6 33.2 96 96 A T H X S+ 0 0 0 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.889 106.8 50.2 -72.9 -39.6 5.0 41.9 33.8 97 97 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.880 112.8 47.0 -64.2 -37.3 8.6 42.4 32.9 98 98 A E H X S+ 0 0 75 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.933 111.2 49.8 -69.7 -46.8 8.8 45.3 35.3 99 99 A A H X S+ 0 0 14 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.826 111.4 51.2 -61.9 -31.4 7.1 43.4 38.1 100 100 A F H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.897 110.6 45.9 -73.4 -41.0 9.5 40.6 37.6 101 101 A A H X S+ 0 0 7 -4,-1.8 4,-3.4 2,-0.2 -2,-0.2 0.896 111.7 54.8 -66.0 -39.3 12.6 42.7 37.7 102 102 A A H < S+ 0 0 51 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.917 113.4 39.9 -59.2 -47.4 11.2 44.4 40.8 103 103 A G H < S+ 0 0 9 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.858 118.7 48.1 -71.8 -35.4 10.7 41.1 42.6 104 104 A L H < S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.911 133.8 6.1 -71.6 -46.5 14.1 39.8 41.3 105 105 A A S >< S- 0 0 2 -4,-3.4 3,-1.5 -5,-0.2 -1,-0.2 -0.680 83.3-140.3-143.2 84.7 16.2 42.8 42.2 106 106 A P T 3 S- 0 0 77 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.050 81.4 -5.7 -45.8 139.1 14.4 45.5 44.1 107 107 A D T 3 S+ 0 0 170 1,-0.1 -30,-0.1 -5,-0.0 -5,-0.1 0.777 99.0 121.0 40.4 39.6 15.2 49.1 43.1 108 108 A a < - 0 0 26 -3,-1.5 -1,-0.1 -7,-0.2 -6,-0.1 0.552 68.7-130.2-105.6 -9.0 17.9 47.9 40.8 109 109 A A - 0 0 100 -4,-0.2 2,-0.5 1,-0.2 -32,-0.0 0.955 29.4-177.5 57.9 90.5 16.6 49.3 37.5 110 110 A I - 0 0 30 -12,-0.1 -1,-0.2 -5,-0.1 -9,-0.1 -0.991 28.6-121.2-119.2 120.6 16.6 46.5 34.9 111 111 A T - 0 0 91 -2,-0.5 2,-0.7 1,-0.1 -26,-0.5 -0.325 12.6-145.6 -62.8 142.2 15.6 47.7 31.5 112 112 A V E -d 85 0A 26 -28,-0.1 2,-0.3 -26,-0.0 -26,-0.2 -0.929 22.7-154.6-110.3 101.9 12.5 46.0 30.0 113 113 A H E +d 86 0A 50 -28,-2.8 -26,-2.6 -2,-0.7 2,-0.3 -0.586 20.5 166.7 -81.5 140.2 13.3 45.9 26.3 114 114 A T - 0 0 23 -2,-0.3 -26,-0.1 -28,-0.2 4,-0.1 -0.853 49.6 -67.4-140.2 174.3 10.6 45.7 23.7 115 115 A Q - 0 0 44 -28,-0.5 5,-0.1 -2,-0.3 7,-0.1 -0.418 50.4-124.7 -61.8 145.3 10.3 46.2 20.0 116 116 A T S S+ 0 0 146 1,-0.1 2,-1.1 2,-0.1 -1,-0.1 0.914 100.0 66.3 -63.6 -44.1 10.9 49.9 19.3 117 117 A D > + 0 0 79 1,-0.2 3,-0.7 4,-0.1 -1,-0.1 -0.703 63.6 177.5 -81.8 102.8 7.7 50.5 17.5 118 118 A T T 3 S+ 0 0 63 -2,-1.1 -1,-0.2 1,-0.2 4,-0.1 0.613 72.8 65.2 -82.2 -14.7 5.2 50.0 20.3 119 119 A S T 3 S+ 0 0 112 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.455 99.0 65.4 -87.4 -0.5 2.1 50.8 18.2 120 120 A S S < S- 0 0 44 -3,-0.7 -31,-0.1 -5,-0.1 -5,-0.1 -0.892 93.1-101.1-122.1 151.2 2.8 47.8 16.1 121 121 A P - 0 0 48 0, 0.0 -2,-0.1 0, 0.0 -4,-0.1 -0.379 33.2-123.3 -69.3 149.9 2.7 44.0 16.9 122 122 A D > - 0 0 6 1,-0.1 3,-1.6 -4,-0.1 4,-0.3 -0.850 10.4-150.6 -96.0 115.6 6.0 42.3 17.6 123 123 A P G > S+ 0 0 25 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.695 89.0 77.4 -58.6 -19.8 6.5 39.3 15.3 124 124 A L G 3 S+ 0 0 4 1,-0.2 147,-0.3 2,-0.2 150,-0.1 0.904 100.5 42.4 -55.9 -38.1 8.6 37.5 17.9 125 125 A F G < S+ 0 0 5 -3,-1.6 -1,-0.2 1,-0.3 178,-0.1 0.494 138.5 2.4 -88.9 -4.1 5.3 36.7 19.7 126 126 A N <> - 0 0 7 -3,-1.0 4,-1.0 -4,-0.3 -1,-0.3 -0.364 54.5-177.2 178.2 94.1 3.4 35.8 16.5 127 127 A P T 4>S+ 0 0 0 0, 0.0 5,-1.7 0, 0.0 6,-1.4 0.598 86.0 63.0 -73.9 -11.2 5.0 35.7 13.0 128 128 A L T >45S+ 0 0 4 3,-0.2 3,-0.7 4,-0.2 7,-0.1 0.900 99.0 52.2 -78.5 -42.8 1.6 34.8 11.5 129 129 A K T 345S+ 0 0 117 1,-0.2 -1,-0.1 -3,-0.2 74,-0.1 0.828 113.6 42.6 -62.9 -36.8 -0.1 38.0 12.6 130 130 A T T 3<5S- 0 0 54 -4,-1.0 -1,-0.2 -7,-0.1 -2,-0.2 0.474 114.4-113.3 -91.7 -1.6 2.6 40.3 11.1 131 131 A G T < 5S+ 0 0 52 -3,-0.7 -3,-0.2 -4,-0.2 -2,-0.1 0.679 73.3 135.1 82.0 16.2 2.9 38.2 7.9 132 132 A V S - 0 0 97 126,-0.3 4,-2.7 -2,-0.2 5,-0.3 -0.804 28.8-156.7 -87.8 103.2 -1.0 26.1 5.0 137 137 A N H > S+ 0 0 76 -2,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.911 86.1 43.4 -47.6 -58.5 -4.8 26.4 5.1 138 138 A A H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.875 117.0 46.2 -58.8 -42.6 -5.7 22.9 3.9 139 139 A N H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.876 114.2 47.0 -70.1 -39.9 -3.0 21.2 6.1 140 140 A V H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.890 110.3 54.2 -67.8 -40.6 -3.9 23.1 9.2 141 141 A T H X S+ 0 0 40 -4,-2.5 4,-2.3 -5,-0.3 5,-0.3 0.942 111.6 44.0 -59.4 -48.4 -7.6 22.5 8.7 142 142 A D H X S+ 0 0 108 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.883 113.3 51.4 -63.6 -41.1 -7.0 18.7 8.4 143 143 A A H X S+ 0 0 7 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.897 112.5 44.4 -66.0 -41.7 -4.7 18.7 11.4 144 144 A I H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.952 115.7 46.1 -69.4 -47.7 -7.1 20.5 13.7 145 145 A L H <>S+ 0 0 46 -4,-2.3 5,-3.1 -5,-0.3 4,-0.3 0.903 111.6 55.0 -59.6 -40.2 -10.2 18.5 12.7 146 146 A S H ><5S+ 0 0 79 -4,-2.3 3,-1.6 -5,-0.3 -1,-0.2 0.928 108.3 45.8 -58.9 -46.1 -8.0 15.4 13.1 147 147 A R H 3<5S+ 0 0 66 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.720 108.2 60.2 -71.2 -17.1 -7.1 16.3 16.7 148 148 A A T ><5S- 0 0 4 -4,-1.4 3,-0.6 -3,-0.2 -1,-0.3 0.453 122.8-105.9 -87.1 -1.3 -10.8 17.1 17.2 149 149 A G T < 5S- 0 0 60 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.641 75.8 -52.2 86.6 14.4 -11.7 13.5 16.3 150 150 A G T 3 - 0 0 51 -3,-0.6 4,-1.5 -6,-0.2 5,-0.1 -0.997 66.9-129.3-151.2 154.9 -15.5 17.2 13.9 152 152 A I H > S+ 0 0 16 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.828 108.8 60.2 -69.9 -32.0 -15.9 20.1 16.3 153 153 A A H > S+ 0 0 71 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.924 105.7 45.0 -62.8 -46.5 -19.4 18.8 17.2 154 154 A D H > S+ 0 0 81 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.890 112.9 54.5 -65.2 -34.6 -18.0 15.5 18.4 155 155 A F 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165 165 A E H X S+ 0 0 40 -4,-1.7 4,-2.2 -5,-0.2 -2,-0.2 0.930 109.9 47.5 -65.1 -45.1 -21.3 23.5 34.4 166 166 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.909 110.2 51.5 -61.0 -45.1 -20.5 26.8 32.6 167 167 A E H X>S+ 0 0 23 -4,-2.0 5,-2.7 1,-0.2 4,-1.5 0.890 108.7 52.7 -58.7 -40.1 -24.2 27.4 31.8 168 168 A R H <5S+ 0 0 94 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.921 108.6 48.7 -62.2 -46.2 -25.0 26.7 35.5 169 169 A V H <5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.823 117.0 43.3 -65.1 -29.2 -22.4 29.3 36.6 170 170 A L H <5S- 0 0 0 -4,-1.8 -135,-0.5 -5,-0.2 -1,-0.2 0.643 102.7-128.8 -88.3 -17.8 -23.9 31.8 34.1 171 171 A N T ><5 + 0 0 57 -4,-1.5 3,-1.8 -3,-0.3 -3,-0.2 0.912 40.9 176.8 61.8 42.0 -27.6 31.0 34.9 172 172 A F G > < + 0 0 1 -5,-2.7 3,-2.4 1,-0.3 6,-0.4 0.830 65.9 68.6 -46.3 -41.1 -27.7 30.6 31.1 173 173 A P G 3 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.860 104.4 42.4 -51.4 -36.5 -31.3 29.5 31.3 174 174 A Q G < S+ 0 0 109 -3,-1.8 -2,-0.2 -142,-0.1 2,-0.2 0.076 92.9 114.7 -98.8 24.1 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0.149 48.1 95.3 -76.7 21.6 -37.7 27.1 22.3 185 185 A D T 3 S+ 0 0 154 2,-0.1 -1,-0.3 -3,-0.0 2,-0.3 0.769 88.3 43.9 -79.4 -28.9 -38.9 23.7 21.3 186 186 A E S < S- 0 0 114 -3,-1.5 3,-0.1 1,-0.1 -3,-0.0 -0.754 103.3 -86.4-114.8 160.6 -35.6 22.3 22.7 187 187 A S - 0 0 113 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.242 52.8 -96.7 -62.8 155.0 -33.7 23.2 25.9 188 188 A c + 0 0 23 -4,-0.1 2,-0.4 4,-0.1 -1,-0.1 -0.592 49.2 176.8 -78.4 131.5 -31.3 26.1 25.8 189 189 A S > - 0 0 20 -2,-0.3 4,-4.1 1,-0.1 5,-0.3 -0.995 34.9-143.4-141.8 132.8 -27.7 25.2 25.1 190 190 A L H > S+ 0 0 0 -2,-0.4 4,-2.4 1,-0.2 20,-0.3 0.935 108.4 45.2 -54.4 -51.0 -24.5 27.2 24.6 191 191 A T H 4 S+ 0 0 18 2,-0.2 -1,-0.2 1,-0.2 5,-0.2 0.823 118.2 44.6 -64.9 -31.6 -23.2 24.7 22.0 192 192 A Q H 4 S+ 0 0 114 1,-0.1 -2,-0.2 3,-0.1 -1,-0.2 0.924 115.7 45.5 -77.1 -47.9 -26.6 24.7 20.3 193 193 A A H < S+ 0 0 24 -4,-4.1 -2,-0.2 1,-0.3 -3,-0.2 0.789 124.2 34.3 -66.4 -29.7 -27.1 28.4 20.5 194 194 A L S < S- 0 0 30 -4,-2.4 16,-2.6 -5,-0.3 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-0.986 49.2-149.2-161.9 167.2 -4.7 33.0 11.9 205 205 A V E +J 200 0C 8 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.987 26.1 169.3-140.0 144.7 -7.0 30.1 13.1 206 206 A S E -J 199 0C 39 -7,-2.9 -7,-3.6 -2,-0.3 2,-0.5 -0.992 31.9-135.0-156.2 164.0 -10.1 30.3 15.2 207 207 A L E -J 198 0C 5 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.1 -0.989 25.5-156.3-120.2 124.8 -13.1 28.7 16.7 208 208 A T > + 0 0 47 -11,-2.0 3,-0.6 -2,-0.5 4,-0.2 -0.450 53.7 20.5 -92.1 170.9 -16.4 30.6 16.6 209 209 A G T 3> S- 0 0 18 1,-0.2 4,-2.0 -13,-0.2 3,-0.3 -0.350 118.8 -10.4 80.3-151.8 -19.3 30.1 18.9 210 210 A A H 3> S+ 0 0 1 -16,-2.6 4,-2.6 -20,-0.3 5,-0.3 0.773 124.5 64.4 -61.5 -30.5 -19.4 28.4 22.3 211 211 A V H <> S+ 0 0 8 -3,-0.6 4,-1.6 -17,-0.3 -1,-0.2 0.961 111.8 32.7 -61.6 -51.0 -15.9 27.0 22.1 212 212 A S H > S+ 0 0 39 -3,-0.3 4,-2.0 -4,-0.2 -1,-0.2 0.837 118.7 53.3 -75.7 -33.8 -14.2 30.3 22.1 213 213 A L H X S+ 0 0 9 -4,-2.0 4,-3.3 2,-0.2 5,-0.2 0.958 111.8 45.9 -64.4 -47.7 -16.7 32.0 24.3 214 214 A A H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.862 109.9 53.6 -63.2 -37.7 -16.4 29.3 26.9 215 215 A S H X S+ 0 0 3 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.926 115.2 41.7 -64.0 -41.2 -12.6 29.4 26.7 216 216 A M H X S+ 0 0 55 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.933 115.4 48.1 -70.8 -48.1 -12.7 33.2 27.4 217 217 A L H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -2,-0.2 0.923 111.4 49.0 -62.0 -44.1 -15.4 33.1 30.0 218 218 A T H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.863 110.7 51.3 -65.6 -32.6 -13.8 30.3 32.1 219 219 A E H X S+ 0 0 6 -4,-1.2 4,-2.3 -5,-0.3 -1,-0.2 0.873 106.8 55.1 -69.2 -36.0 -10.5 32.1 32.0 220 220 A I H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.885 106.0 51.1 -64.2 -37.6 -12.3 35.3 33.2 221 221 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.925 109.8 49.8 -66.0 -41.1 -13.6 33.3 36.2 222 222 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.903 110.7 51.1 -61.6 -39.3 -10.0 32.1 37.0 223 223 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.914 108.1 50.7 -63.8 -44.5 -8.9 35.8 36.7 224 224 A Q H X>S+ 0 0 3 -4,-2.5 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